2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H17F3N2O3 — CID 64817129

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)6-17(7-4-5-7)11(20)16-9-3-1-2-8(9)10(18)19/h7-9H,1-6H2,(H,16,20)(H,18,19)
InChIKeyNLUGASXLUBNRDN-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.98
Rot. Bonds4

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64817129) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64817129
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)6-17(7-4-5-7)11(20)16-9-3-1-2-8(9)10(18)19/h7-9H,1-6H2,(H,16,20)(H,18,19)
InChIKeyNLUGASXLUBNRDN-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64817129) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is NLUGASXLUBNRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)6-17(7-4-5-7)11(20)16-9-3-1-2-8(9)10(18)19/h7-9H,1-6H2,(H,16,20)(H,18,19).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).